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Home > Bromides > 1227579-45-4
1227579-45-4 | Pyridine, 2-bromo-4-methoxy-5-(trifluoromethyl)-
CAS No: 1227579-45-4 Catalog No: AG000JBO MDL No:
Product Description
Catalog Number:
AG000JBO
Chemical Name:
Pyridine, 2-bromo-4-methoxy-5-(trifluoromethyl)-
CAS Number:
1227579-45-4
Molecular Formula:
C7H5BrF3NO
Molecular Weight:
256.0199
IUPAC Name:
2-bromo-4-methoxy-5-(trifluoromethyl)pyridine
InChI:
InChI=1S/C7H5BrF3NO/c1-13-5-2-6(8)12-3-4(5)7(9,10)11/h2-3H,1H3
InChI Key:
IRNAIICCZZKNRQ-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ncc1C(F)(F)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.022g/mol
Monoisotopic Mass:
254.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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